5-chloro-1-sulfanylidene-4H-isoquinolin-3-one
Basic information
- CAS
22482-75-3- Standard SMILES
O=C1Cc2c(Cl)cccc2C(=S)N1- InChIKey
QYZPJCOCQMXBMK-UHFFFAOYSA-N- Molecular formula
- C9H6ClNOS
- Average molar mass
- 211.67 g/mol
- Monoisotopic mass
- 210.9858627
Names & identifiers
- Preferred name
- 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one
- IUPAC
- 5-chloro-1-sulfanylidene-4H-isoquinolin-3-one
Names & synonyms
22482-75-3NSC 1520825-chloro-1-sulfanylidene-4H-isoquinolin-3-oneNSC152082DTXSID70401121NSC-1520825-Chloro-1-sulfanylidene-1,4-dihydroisoquinolin-3(2H)-one
Database identifiers
- CAS
22482-75-3- PubChem CID
- 4240219
- DTXSID
DTXSID70401121
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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